4-[3-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
4-[3-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-6449 |
| Compound Name: | 4-[3-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C28 H25 N3 O7 S |
| Smiles: | CCOc1ccc(cc1)/N=C(\NCc1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7305 |
| logD: | 1.3353 |
| logSw: | -3.9331 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.415 |
| InChI Key: | HJHTUVLNBHRHEL-DEOSSOPVSA-N |